EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H12N2O |
| Net Charge | 0 |
| Average Mass | 248.285 |
| Monoisotopic Mass | 248.09496 |
| SMILES | COC(Cc1cccc2ccccc12)=C(C#N)C#N |
| InChI | InChI=1S/C16H12N2O/c1-19-16(14(10-17)11-18)9-13-7-4-6-12-5-2-3-8-15(12)13/h2-8H,9H2,1H3 |
| InChIKey | YESGAKYWJPOKJQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(1-methoxy-2-naphthalen-1-ylethylidene)propanedinitrile (CHEBI:92054) is a naphthalenes (CHEBI:25477) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2044 | LINCS |